4-ethyl-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]aniline

C20H23N3O — CID 20956355

IUPAC4-ethyl-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]aniline
SMILESCCc1ccc(NCc2ccc(OC)c(Cn3ccnc3)c2)cc1
InChIInChI=1S/C20H23N3O/c1-3-16-4-7-19(8-5-16)22-13-17-6-9-20(24-2)18(12-17)14-23-11-10-21-15-23/h4-12,15,22H,3,13-14H2,1-2H3
InChIKeyUQOYLCUUEIITQB-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.11
Rot. Bonds7

About 4-ethyl-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]aniline

4-ethyl-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]aniline (PubChem CID 20956355) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-ethyl-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]aniline
PubChem CID20956355
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name4-ethyl-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]aniline
SMILESCCc1ccc(NCc2ccc(OC)c(Cn3ccnc3)c2)cc1
InChIInChI=1S/C20H23N3O/c1-3-16-4-7-19(8-5-16)22-13-17-6-9-20(24-2)18(12-17)14-23-11-10-21-15-23/h4-12,15,22H,3,13-14H2,1-2H3
InChIKeyUQOYLCUUEIITQB-UHFFFAOYSA-N
XLogP4.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]aniline?
The IUPAC name of 4-ethyl-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]aniline (CID 20956355) is 4-ethyl-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]aniline.
What is the SMILES notation for 4-ethyl-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]aniline?
The canonical SMILES for 4-ethyl-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]aniline is CCc1ccc(NCc2ccc(OC)c(Cn3ccnc3)c2)cc1.
What is the InChIKey of 4-ethyl-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]aniline?
The InChIKey is UQOYLCUUEIITQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-3-16-4-7-19(8-5-16)22-13-17-6-9-20(24-2)18(12-17)14-23-11-10-21-15-23/h4-12,15,22H,3,13-14H2,1-2H3.
What are the key properties of 4-ethyl-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]aniline?
4-ethyl-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]aniline has a molecular weight of 321.42 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]aniline is sourced from PubChem (CID 20956355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).